N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C15H23N5S — CID 103334924

IUPACN-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)C3CCCCC3)nc(NN)nc2s1
InChIInChI=1S/C15H23N5S/c1-3-11-9-12-13(17-15(19-16)18-14(12)21-11)20(2)10-7-5-4-6-8-10/h9-10H,3-8,16H2,1-2H3,(H,17,18,19)
InChIKeyVRTKHPFCJJNYHO-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.31
Rot. Bonds4

About N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334924) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103334924
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(C)C3CCCCC3)nc(NN)nc2s1
InChIInChI=1S/C15H23N5S/c1-3-11-9-12-13(17-15(19-16)18-14(12)21-11)20(2)10-7-5-4-6-8-10/h9-10H,3-8,16H2,1-2H3,(H,17,18,19)
InChIKeyVRTKHPFCJJNYHO-UHFFFAOYSA-N
XLogP3.31
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 103334924) is N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(C)C3CCCCC3)nc(NN)nc2s1.
What is the InChIKey of N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VRTKHPFCJJNYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-3-11-9-12-13(17-15(19-16)18-14(12)21-11)20(2)10-7-5-4-6-8-10/h9-10H,3-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).